Electricity grid's resiliency and climate change strongly impact one another due to an array of technical and policy-related decisions that impact both. This paper introduces a physics-informed machine learning-based framework to enhance grid's resiliency. Specifically, when encountering disruptive events, this paper designs remedial control actions to prevent blackouts. The proposed Physics-Guided Reinforcement Learning (PG-RL) framework determines effective real-time remedial line-switching actions, considering their impact on power balance, system security, and grid reliability. To identify an effective blackout mitigation policy, PG-RL leverages power-flow sensitivity factors to guide the RL exploration during agent training. Comprehensive evaluations using the Grid2Op platform demonstrate that incorporating physical signals into RL significantly improves resource utilization within electric grids and achieves better blackout mitigation policies - both of which are critical in addressing climate change.
Physics Informed Machine Learning has emerged as a popular approach in modelling and simulation for digital twins to generate accurate models of processes and behaviours of real-world systems. However, despite their success in generating accurate and reliable models, the existing methods either use simple regularizations in loss functions to offer limited physics integration or are too specific in architectural definitions to be generalized to a wide variety of physical systems. This paper presents a generic approach based on a novel physics-encoded residual neural network architecture to combine data-driven and physics-based analytical models to address these limitations. Our method combines physics blocks as mathematical operators from physics-based models with learning blocks comprising feed-forward layers. Intermediate residual blocks are incorporated for stable gradient flow as they train on physical system observation data. This way, the model learns to comply with the geometric and kinematic aspects of the physical system. Compared to conventional neural network-based methods, our method improves generalizability with substantially low data requirements and model complexity in terms of parameters, especially in scenarios where prior physics knowledge is either elementary or incomplete. We investigate our approach in two application domains. The first is a basic robotic motion model using Euler Lagrangian equations of motion as physics prior. The second application is a complex scenario of a steering model for a self-driving vehicle in a simulation. In both applications, our method outperforms both conventional neural network based approaches as-well as state-of-the-art Physics Informed Machine Learning methods.
With the popularity of electric vehicles, the demand for lithium-ion batteries is increasing. Temperature significantly influences the performance and safety of batteries. Battery thermal management systems can effectively control the temperature of batteries; therefore, the performance and safety can be ensured. However, the development process of battery thermal management systems is time-consuming and costly due to the extensive training dataset needed by data-driven models requiring enormous computational costs for finite element analysis. Therefore, a new approach to constructing surrogate models is needed in the era of AI. Physics-informed machine learning enforces the physical laws in surrogate models, making it the perfect candidate for estimating battery pack temperature distribution. In this study, we first developed a 21700 battery pack indirect liquid cooling system with cold plates on the top and bottom with thermal paste surrounding the battery cells. Then, the simplified finite element model was built based on experiment results. Due to the high coolant flow rate, the cold plates can be considered as constant temperature boundaries, while battery cells are the heat sources. The physics-informed convolutional neural network served as a surrogate model to estimate the temperature distribution of the battery pack. The loss function was constructed considering the heat conduction equation based on the finite difference method. The physics-informed loss function helped the convergence of the training process with less data. As a result, the physics-informed convolutional neural network showed more than 15 percents improvement in accuracy compared to the data-driven method with the same training data.
We present a non-overlapping, Schwarz-type domain decomposition method with a generalized interface condition, designed for physics-informed machine learning of partial differential equations (PDEs) in both forward and inverse contexts. Our approach employs physics and equality-constrained artificial neural networks (PECANN) within each subdomain. Unlike the original PECANN method, which relies solely on initial and boundary conditions to constrain PDEs, our method uses both boundary conditions and the governing PDE to constrain a unique interface loss function for each subdomain. This modification improves the learning of subdomain-specific interface parameters while reducing communication overhead by delaying information exchange between neighboring subdomains. To address the constrained optimization in each subdomain, we apply an augmented Lagrangian method with a conditionally adaptive update strategy, transforming the problem into an unconstrained dual optimization. A distinct advantage of our domain decomposition method is its ability to learn solutions to both Poisson's and Helmholtz equations, even in cases with high-wavenumber and complex-valued solutions. Through numerical experiments with up to 64 subdomains, we demonstrate that our method consistently generalizes well as the number of subdomains increases.
Alternative Current Optimal Power Flow (AC-OPF) is essential for efficient power system planning and real-time operation but remains an NP-hard and non-convex optimization problem with significant computational challenges. This paper proposes a novel hybrid classical-quantum deep learning framework for AC-OPF problem, integrating parameterized quantum circuits (PQCs) for feature extraction with classical deep learning for data encoding and decoding. The proposed framework integrates two types of residual connection structures to mitigate the ``barren plateau" problem in quantum circuits, enhancing training stability and convergence. Furthermore, a physics-informed neural network (PINN) module is incorporated to guarantee tolerable constraint violation, improving the physical consistency and reliability of AC-OPF solutions. Experimental evaluations on multiple IEEE test systems demonstrate that the proposed approach achieves superior accuracy, generalization, and robustness to quantum noise while requiring minimal quantum resources.
Traditional rule-based physical models are limited by their reliance on singular physical formulas and parameters, making it difficult to effectively tackle the intricate tasks associated with crowd simulation. Recent research has introduced deep learning methods to tackle these issues, but most current approaches focus primarily on generating pedestrian trajectories, often lacking interpretability and failing to provide real-time dynamic simulations.To address the aforementioned issues, we propose a novel data-driven crowd simulation framework that integrates Physics-informed Machine Learning (PIML) with navigation potential fields. Our approach leverages the strengths of both physical models and PIML. Specifically, we design an innovative Physics-informed Spatio-temporal Graph Convolutional Network (PI-STGCN) as a data-driven module to predict pedestrian movement trends based on crowd spatio-temporal data. Additionally, we construct a physical model of navigation potential fields based on flow field theory to guide pedestrian movements, thereby reinforcing physical constraints during the simulation. In our framework, navigation potential fields are dynamically computed and updated based on the movement trends predicted by the PI-STGCN, while the updated crowd dynamics, guided by these fields, subsequently feed back into the PI-STGCN. Comparative experiments on two publicly available large-scale real-world datasets across five scenes demonstrate that our proposed framework outperforms existing rule-based methods in accuracy and fidelity. The similarity between simulated and actual pedestrian trajectories increases by 10.8%, while the average error is reduced by 4%. Moreover, our framework exhibits greater adaptability and better interpretability compared to methods that rely solely on deep learning for trajectory generation.
We develop a systems approach based on an energy-landscape concept to differentiate interactions involving redox activities and conformational changes of proteins and nucleic acids interactions in multi-layered protein-DNA regulatory networks under light disturbance. Our approach is a data-driven modeling workflow using a physics-informed machine learning algorithm to train a non-linear mathematical model for interpreting gene expression dynamics and to lead discovery for protein regulators using redox proteome analysis. We distinguish light-responsive elements within central carbon metabolism pathways from independent variables like circadian time using the publicly available transcriptome datasets of Synechococcus elongatus over diel cycles responding to light perturbations. Our approach provides interpretable de novo models for elucidating events of reactions in complex regulatory pathways in response to stressful disturbance from the environment. We discovered protein regulators in response to light disturbance in the proteome analysis involving shifts in protein abundance as well as cysteine redox states under constant illumination and after two hours of darkness. We discovered significant shifts in cysteine redox states in regulatory proteins such as transcription sigma factors and metabolic enzymes in the oxidative pentose phosphate pathway and the Calvin-Benson cycle, while the changes in their protein abundance were minimal. These results indicate that regulatory dynamics in reductant generation link photo-induced electron transport pathways and redox metabolic pathways with circadian rhythms through fast redox-induced conformational changes or slow expression regulations across networks.
Physics-Informed Neural Networks (PINNs) have emerged as a key tool in Scientific Machine Learning since their introduction in 2017, enabling the efficient solution of ordinary and partial differential equations using sparse measurements. Over the past few years, significant advancements have been made in the training and optimization of PINNs, covering aspects such as network architectures, adaptive refinement, domain decomposition, and the use of adaptive weights and activation functions. A notable recent development is the Physics-Informed Kolmogorov-Arnold Networks (PIKANS), which leverage a representation model originally proposed by Kolmogorov in 1957, offering a promising alternative to traditional PINNs. In this review, we provide a comprehensive overview of the latest advancements in PINNs, focusing on improvements in network design, feature expansion, optimization techniques, uncertainty quantification, and theoretical insights. We also survey key applications across a range of fields, including biomedicine, fluid and solid mechanics, geophysics, dynamical systems, heat transfer, chemical engineering, and beyond. Finally, we review computational frameworks and software tools developed by both academia and industry to support PINN research and applications.
When the physics is wrong, physics-informed machine learning becomes physics-misinformed machine learning. A powerful black-box model should not be able to conceal misconceived physics. We propose two criteria that can be used to assert integrity that a hybrid (physics plus black-box) model: 0) the black-box model should be unable to replicate the physical model, and 1) any best-fit hybrid model has the same physical parameter as a best-fit standalone physics model. We demonstrate them for a sample nonlinear mechanical system approximated by its small-signal linearization.
In this paper, we investigate the use of operator learning, specifically DeepONet, for solving nonlinear partial differential equations (PDEs). Unlike conventional function learning methods that require training separate neural networks for each PDE, operator learning enables generalization across different PDEs without retraining. This study examines the performance of DeepONet in physics-informed training, focusing on two key aspects: (1) the approximation capabilities of deep branch and trunk networks, and (2) the generalization error in Sobolev norms. Our results demonstrate that deep branch networks provide substantial performance improvements, while trunk networks achieve optimal results when kept relatively simple. Furthermore, we derive a bound on the generalization error of DeepONet for solving nonlinear PDEs by analyzing the Rademacher complexity of its derivatives in terms of pseudo-dimension. This work bridges a critical theoretical gap by delivering rigorous error estimates. This paper fills a theoretical gap by providing error estimations for a wide range of physics-informed machine learning models and applications.
Physics-informed machine learning typically integrates physical priors into the learning process by minimizing a loss function that includes both a data-driven term and a partial differential equation (PDE) regularization. Building on the formulation of the problem as a kernel regression task, we use Fourier methods to approximate the associated kernel, and propose a tractable estimator that minimizes the physics-informed risk function. We refer to this approach as physics-informed kernel learning (PIKL). This framework provides theoretical guarantees, enabling the quantification of the physical prior's impact on convergence speed. We demonstrate the numerical performance of the PIKL estimator through simulations, both in the context of hybrid modeling and in solving PDEs. In particular, we show that PIKL can outperform physics-informed neural networks in terms of both accuracy and computation time. Additionally, we identify cases where PIKL surpasses traditional PDE solvers, particularly in scenarios with noisy boundary conditions.
This paper introduces a novel methodology for solving distributed-order fractional differential equations using a physics-informed machine learning framework. The core of this approach involves extending the support vector regression (SVR) algorithm to approximate the unknown solutions of the governing equations during the training phase. By embedding the distributed-order functional equation into the SVR framework, we incorporate physical laws directly into the learning process. To further enhance computational efficiency, Gegenbauer orthogonal polynomials are employed as the kernel function, capitalizing on their fractional differentiation properties to streamline the problem formulation. Finally, the resulting optimization problem of SVR is addressed either as a quadratic programming problem or as a positive definite system in its dual form. The effectiveness of the proposed approach is validated through a series of numerical experiments on Caputo-based distributed-order fractional differential equations, encompassing both ordinary and partial derivatives.
Physics-informed machine learning (PIML) has emerged as a promising alternative to classical methods for predicting dynamical systems, offering faster and more generalizable solutions. However, existing models, including recurrent neural networks (RNNs), transformers, and neural operators, face challenges such as long-time integration, long-range dependencies, chaotic dynamics, and extrapolation, to name a few. To this end, this paper introduces state-space models implemented in Mamba for accurate and efficient dynamical system operator learning. Mamba addresses the limitations of existing architectures by dynamically capturing long-range dependencies and enhancing computational efficiency through reparameterization techniques. To extensively test Mamba and compare against another 11 baselines, we introduce several strict extrapolation testbeds that go beyond the standard interpolation benchmarks. We demonstrate Mamba's superior performance in both interpolation and challenging extrapolation tasks. Mamba consistently ranks among the top models while maintaining the lowest computational cost and exceptional extrapolation capabilities. Moreover, we demonstrate the good performance of Mamba for a real-world application in quantitative systems pharmacology for assessing the efficacy of drugs in tumor growth under limited data scenarios. Taken together, our findings highlight Mamba's potential as a powerful tool for advancing scientific machine learning in dynamical systems modeling. (The code will be available at https://github.com/zheyuanhu01/State_Space_Model_Neural_Operator upon acceptance.)
In this paper, physics-informed neural network models are developed to predict the concentrate gold grade in froth flotation cells. Accurate prediction of concentrate grades is important for the automatic control and optimization of mineral processing. Both first-principles and data-driven machine learning methods have been used to model the flotation process. The complexity of models based on first-principles restricts their direct use, while purely data-driven models often fail in dynamic industrial environments, leading to poor generalization. To address these limitations, this study integrates classical mathematical models of froth flotation processes with conventional deep learning methods to construct physics-informed neural networks. These models demonstrated superior generalization and predictive performance compared to purely data-driven models, on simulated data from two flotation cells, in terms of mean squared error and mean relative error.
Accurate and efficient fluid flow models are essential for applications relating to many physical phenomena including geophysical, aerodynamic, and biological systems. While these flows may exhibit rich and multiscale dynamics, in many cases underlying low-rank structures exist which describe the bulk of the motion. These structures tend to be spatially large and temporally slow, and may contain most of the energy in a given flow. The extraction and parsimonious representation of these low-rank dynamics from high-dimensional data is a key challenge. Inspired by the success of physics-informed machine learning methods, we propose a spectrally-informed approach to extract low-rank models of fluid flows by leveraging known spectral properties in the learning process. We incorporate this knowledge by imposing regularizations on the learned dynamics, which bias the training process towards learning low-frequency structures with corresponding higher power. We demonstrate the effectiveness of this method to improve prediction and produce learned models which better match the underlying spectral properties of prototypical fluid flows.
This survey examines the broad suite of methods and models for combining machine learning with physics knowledge for prediction and forecast, with a focus on partial differential equations. These methods have attracted significant interest due to their potential impact on advancing scientific research and industrial practices by improving predictive models with small- or large-scale datasets and expressive predictive models with useful inductive biases. The survey has two parts. The first considers incorporating physics knowledge on an architectural level through objective functions, structured predictive models, and data augmentation. The second considers data as physics knowledge, which motivates looking at multi-task, meta, and contextual learning as an alternative approach to incorporating physics knowledge in a data-driven fashion. Finally, we also provide an industrial perspective on the application of these methods and a survey of the open-source ecosystem for physics-informed machine learning.
Bayesian Physics Informed Neural Networks (BPINN) have attracted considerable attention for inferring the system states and physical parameters of differential equations according to noisy observations. However, in practice, Hamiltonian Monte Carlo (HMC) used to estimate the internal parameters of the solver for BPINN often encounters these troubles including poor performance and awful convergence for a given step size used to adjust the momentum of those parameters. To address the convergence of HMC for the BPINN method and extend its application scope to multi-scale partial differential equations (PDE), we develop a robust multi-scale BPINN (dubbed MBPINN) method by integrating multi-scale deep neural networks (MscaleDNN) and the BPINN framework. In this newly proposed MBPINN method, we reframe HMC with Stochastic Gradient Descent (SGD) to ensure the most ``likely'' estimation is always provided, and we configure its solver as a Fourier feature mapping-induced MscaleDNN. This novel method offers several key advantages: (1) it is more robust than HMC, (2) it incurs less computational cost than HMC, and (3) it is more flexible for complex problems. We demonstrate the applicability and performance of the proposed method through some general Poisson and multi-scale elliptic problems in one and two-dimensional Euclidean spaces. Our findings indicate that the proposed method can avoid HMC failures and provide valid results. Additionally, our method is capable of handling complex elliptic PDE and producing comparable results for general elliptic PDE under the case of lower signal-to-noise rate. These findings suggest that our proposed approach has great potential for physics-informed machine learning for parameter estimation and solution recovery in the case of ill-posed problems.
In this paper, we propose a physics-informed learning-based Koopman modeling approach and present a Koopman-based self-tuning moving horizon estimation design for a class of nonlinear systems. Specifically, we train Koopman operators and two neural networks - the state lifting network and the noise characterization network - using both data and available physical information. The two neural networks account for the nonlinear lifting functions for Koopman modeling and describing system noise distributions, respectively. Accordingly, a stochastic linear Koopman model is established in the lifted space to forecast the dynamic behavior of the nonlinear system. Based on the Koopman model, a self-tuning linear moving horizon estimation (MHE) scheme is developed. The weighting matrices of the MHE design are updated using the pre-trained noise characterization network at each sampling instant. The proposed estimation scheme is computationally efficient because only convex optimization is involved during online implementation, and updating the weighting matrices of the MHE scheme does not require re-training the neural networks. We verify the effectiveness and evaluate the performance of the proposed method via the application to a simulated chemical process.
This study investigates the application of deep residual networks for predicting the dynamics of interacting three-dimensional rigid bodies. We present a framework combining a 3D physics simulator implemented in C++ with a deep learning model constructed using PyTorch. The simulator generates training data encompassing linear and angular motion, elastic collisions, fluid friction, gravitational effects, and damping. Our deep residual network, consisting of an input layer, multiple residual blocks, and an output layer, is designed to handle the complexities of 3D dynamics. We evaluate the network's performance using a datasetof 10,000 simulated scenarios, each involving 3-5 interacting rigid bodies. The model achieves a mean squared error of 0.015 for position predictions and 0.022 for orientation predictions, representing a 25% improvement over baseline methods. Our results demonstrate the network's ability to capture intricate physical interactions, with particular success in predicting elastic collisions and rotational dynamics. This work significantly contributes to physics-informed machine learning by showcasing the immense potential of deep residual networks in modeling complex 3D physical systems. We discuss our approach's limitations and propose future directions for improving generalization to more diverse object shapes and materials.
Physics-Informed Neural Networks (PINNs) have emerged as a robust framework for solving Partial Differential Equations (PDEs) by approximating their solutions via neural networks and imposing physics-based constraints on the loss function. Traditionally, Multilayer Perceptrons (MLPs) have been the neural network of choice, with significant progress made in optimizing their training. Recently, Kolmogorov-Arnold Networks (KANs) were introduced as a viable alternative, with the potential of offering better interpretability and efficiency while requiring fewer parameters. In this paper, we present a fast JAX-based implementation of grid-dependent Physics-Informed Kolmogorov-Arnold Networks (PIKANs) for solving PDEs, achieving up to 84 times faster training times than the original KAN implementation. We propose an adaptive training scheme for PIKANs, introducing an adaptive state transition technique to avoid loss function peaks between grid extensions, and a methodology for designing PIKANs with alternative basis functions. Through comparative experiments, we demonstrate that the adaptive features significantly enhance solution accuracy, decreasing the L^2 error relative to the reference solution by up to 43.02%. For the studied PDEs, our methodology approaches or surpasses the results obtained from architectures that utilize up to 8.5 times more parameters, highlighting the potential of adaptive, grid-dependent PIKANs as a superior alternative in scientific and engineering applications.